3-tert-butyl-4-ethyl-2H-pyrrole

C10H17N — CID 161392549

IUPAC3-tert-butyl-4-ethyl-2H-pyrrole
SMILESCCC1=C(C(C)(C)C)CN=C1
InChIInChI=1S/C10H17N/c1-5-8-6-11-7-9(8)10(2,3)4/h6H,5,7H2,1-4H3
InChIKeyVTEFOGGCZPZYSX-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.82
Rot. Bonds1

About 3-tert-butyl-4-ethyl-2H-pyrrole

3-tert-butyl-4-ethyl-2H-pyrrole (PubChem CID 161392549) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3-tert-butyl-4-ethyl-2H-pyrrole.

Molecular Properties

Compound Name3-tert-butyl-4-ethyl-2H-pyrrole
PubChem CID161392549
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3-tert-butyl-4-ethyl-2H-pyrrole
SMILESCCC1=C(C(C)(C)C)CN=C1
InChIInChI=1S/C10H17N/c1-5-8-6-11-7-9(8)10(2,3)4/h6H,5,7H2,1-4H3
InChIKeyVTEFOGGCZPZYSX-UHFFFAOYSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-ethyl-2H-pyrrole?
The IUPAC name of 3-tert-butyl-4-ethyl-2H-pyrrole (CID 161392549) is 3-tert-butyl-4-ethyl-2H-pyrrole.
What is the SMILES notation for 3-tert-butyl-4-ethyl-2H-pyrrole?
The canonical SMILES for 3-tert-butyl-4-ethyl-2H-pyrrole is CCC1=C(C(C)(C)C)CN=C1.
What is the InChIKey of 3-tert-butyl-4-ethyl-2H-pyrrole?
The InChIKey is VTEFOGGCZPZYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-5-8-6-11-7-9(8)10(2,3)4/h6H,5,7H2,1-4H3.
What are the key properties of 3-tert-butyl-4-ethyl-2H-pyrrole?
3-tert-butyl-4-ethyl-2H-pyrrole has a molecular weight of 151.25 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-ethyl-2H-pyrrole is sourced from PubChem (CID 161392549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).